7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one

C9H7ClN2O3 — CID 10727978

IUPAC7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CCNc2c1ccc(Cl)c2[N+](=O)[O-]
InChIInChI=1S/C9H7ClN2O3/c10-6-2-1-5-7(13)3-4-11-8(5)9(6)12(14)15/h1-2,11H,3-4H2
InChIKeyLUOQNQRDGQGJAW-UHFFFAOYSA-N
MW226.62 g/mol
LogP2.25
Rot. Bonds1

About 7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one

7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one (PubChem CID 10727978) has the molecular formula C9H7ClN2O3 and a molecular weight of 226.62 g/mol. Its IUPAC name is 7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one
PubChem CID10727978
Molecular FormulaC9H7ClN2O3
Molecular Weight226.62 g/mol
Exact Mass226.01
IUPAC Name7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CCNc2c1ccc(Cl)c2[N+](=O)[O-]
InChIInChI=1S/C9H7ClN2O3/c10-6-2-1-5-7(13)3-4-11-8(5)9(6)12(14)15/h1-2,11H,3-4H2
InChIKeyLUOQNQRDGQGJAW-UHFFFAOYSA-N
XLogP2.25
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one (CID 10727978) is 7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one is O=C1CCNc2c1ccc(Cl)c2[N+](=O)[O-].
What is the InChIKey of 7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is LUOQNQRDGQGJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3/c10-6-2-1-5-7(13)3-4-11-8(5)9(6)12(14)15/h1-2,11H,3-4H2.
What are the key properties of 7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one?
7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 226.62 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 10727978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).